SCHEMBL5085935

SCHEMBL5085935

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.50
HCRTR1 O43613 2/20 0.50
HCRTR2 O43614 2/20 0.50
TSHR P16473 1/20 0.49
CASP3 P42574 4/20 0.48
CASP7 P55210 3/20 0.48
CASP9 P55211 1/20 0.47
ALDH1A1 P00352 1/20 0.47
EPHX2 P34913 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.46
FKBP4 Q02790 1/20 0.45
FKBP5 Q13451 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4133018 0.86 MMP1 (0.56) FKBP1AHCRTR1HCRTR2ALDH1A1
SCHEMBL2568316 0.86 MEN1 (0.52) TSHRCASP3CASP7CASP9
SCHEMBL5122187 0.83 PTGDR2 (0.53) HCRTR1HCRTR2TSHRCASP3CASP7
SCHEMBL5088383 0.83 TSHR (0.54) FKBP1AHCRTR1HCRTR2TSHRCASP3
SCHEMBL5087589 0.83 RAB9A (0.55) HCRTR1HCRTR2TSHRCASP3CASP7
SCHEMBL5093751 0.82 LMNA (0.44) HCRTR1HCRTR2TSHRALDH1A1PTGDR2
SCHEMBL5093730 0.81 PSEN1 (0.62) FKBP1ATSHRCASP3CASP7ALDH1A1
SCHEMBL2569069 0.81 FKBP1A (0.48) FKBP1AHCRTR1HCRTR2TSHRCASP3
SCHEMBL2563852 0.80 HTR7 (0.53) FKBP1AHCRTR1HCRTR2CASP3CASP7
SCHEMBL5092685 0.80 HTR7 (0.55) HCRTR1HCRTR2TSHRCASP3CASP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 FKBP1A 244/4885HCRTR1 3833/4885HCRTR2 3276/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 FKBP1A 244/4885HCRTR1 3833/4885HCRTR2 3276/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 FKBP1A 244/4885HCRTR1 3833/4885HCRTR2 3276/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD FKBP1A 835/4885HCRTR1 3364/4885HCRTR2 2955/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.